SCHEMBL20384396

SCHEMBL20384396

CC(C)Sc1ccc(OC2CCC(O)CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20384202 0.92 BRD4 (0.68) BRD4
SCHEMBL20384547 0.91 BRD4 (0.71) BRD4
SCHEMBL20384208 0.89 BRD4 (0.69) BRD4
SCHEMBL20384575 0.88 BRD4 (0.73) BRD4
SCHEMBL20384242 0.83 BRD4 (0.72) BRD4
SCHEMBL20384456 0.82 BRD4 (0.73) BRD4
SCHEMBL20384393 0.81 BRD4 (0.77) BRD4
SCHEMBL20384248 0.81 BRD4 (0.72) BRD4
SCHEMBL20384322 0.81 BRD4 (0.73) BRD4
SCHEMBL15067754 0.80 BRD4 (1.00) BRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018130174-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 江苏豪森药业集团有限公司 2018-07-19 WO disclosed